Author, as appears in the article.: Ikram, M; Atiq, I; Butt, AR; Shahzadi, I; Ul-Hamid, A; Haider, A; Nabgan, W; Medina, F
Department: Enginyeria Química
URV's Author/s: Medina Cabello, Francisco / Nabgan, Walid
Keywords: Moo nanorods 3 Molecular docking Catalytic activity Antibacterial activity Analysis
Abstract: In this study, MoO3 nanostructures were prepared, doped with various concentrations of graphene oxide (2 and 4% GO) and a fixed amount of polyvinylpyrrolidone (PVP) using the co-precipitation method. The motive of this study was to examine the catalytic and antimicrobial efficacy with evidential molecular docking analyses of GO/PVP-doped MoO3. GO and PVP were utilized as doping agents to reduce the exciton recombination rate of MoO3 by providing more active sites that increase the antibacterial activity of MoO3. The prepared binary dopant (GO and PVP)-dependent MoO3 was used as an effective antibacterial agent against Escherichia coli (E. coli). Notably, 4% GO/PVP-doped MoO3 showed good bactericidal potential against E. coli at higher concentrations in comparison to ciprofloxacin. Furthermore, in silico docking revealed the possible inhibitory impact of the synthesized nanocomposites on folate and fatty acid synthesis enzymes, dihydrofolate reductase and enoyl-[acyl carrier protein] reductase, respectively.
Thematic Areas: Química Medicina ii Medicina i Materiais Interdisciplinar General chemistry Farmacia Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Biotecnología Biodiversidade
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: walid.nabgan@urv.cat francesc.medina@urv.cat
Author identifier: 0000-0001-9901-862X 0000-0002-3111-1542
Record's date: 2024-08-03
Papper version: info:eu-repo/semantics/publishedVersion
Link to the original source: https://www.frontiersin.org/articles/10.3389/fchem.2023.1191849/full
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Frontiers In Chemistry. 11
APA: Ikram, M; Atiq, I; Butt, AR; Shahzadi, I; Ul-Hamid, A; Haider, A; Nabgan, W; Medina, F (2023). Graphene oxide/polyvinylpyrrolidone-doped MoO3 nanocomposites used for dye degradation and their antibacterial activity: a molecular docking analysis. Frontiers In Chemistry, 11(), -. DOI: 10.3389/fchem.2023.1191849
Article's DOI: 10.3389/fchem.2023.1191849
Entity: Universitat Rovira i Virgili
Journal publication year: 2023
Publication Type: Journal Publications
Repositori URV